1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one

C14H26O — CID 57219007

IUPAC1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3
InChIKeyGRWQKEVYUXTRLZ-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds4

About 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one

1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one (PubChem CID 57219007) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
PubChem CID57219007
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one
SMILESCC(C)CC(=O)CC1CCCC(C)(C)C1
InChIInChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3
InChIKeyGRWQKEVYUXTRLZ-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthone
CID 26447
3,3,5-Trimethylcyclohexanone
CID 13398
(+)-Isomenthone
CID 70962
p-Menthan-3-one
CID 6986
Isomenthone, (+-)-
CID 6432469
4-tert-Butylcyclohexanone
CID 7392
2-sec-Butyl cyclohexanone
CID 61771
2,2,6-Trimethylcyclohexanone
CID 17000
4-Propylcyclohexanone
CID 142482
Dicyclohexyl ketone
CID 8403
6,10-Dimethylundecan-2-one
CID 95495
(+)-Menthone
CID 443159

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The IUPAC name of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one (CID 57219007) is 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one.
What is the SMILES notation for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The canonical SMILES for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one is CC(C)CC(=O)CC1CCCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
The InChIKey is GRWQKEVYUXTRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11(2)8-13(15)9-12-6-5-7-14(3,4)10-12/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one?
1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohexyl)-4-methylpentan-2-one is sourced from PubChem (CID 57219007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).